Density functional theory studies on direct and oxygen assisted activation of C–H bond for dry reforming of methane over Rh–Ni catalyst
Lei Tang, Xin Huang, Jingyu Ran, Fan Guo, Juntian Niu, Huayu Qiu, Zhiliang Ou, Yunfei Yan, Zhongqing Yang, Changlei Qin
Topics & Concepts
CatalysisDissociation (chemistry)Density functional theoryChemistrySyngasMethaneCarbon dioxide reformingOxygenAdsorptionActivation energyBond-dissociation energyPhysical chemistryComputational chemistryOrganic chemistryCatalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Oxidation Reactions